JARVIS TinNet N

The JARVIS_TinNet dataset is part of the joint automated repository for various integrated simulations (JARVIS) database. This dataset contains configurations from the TinNet-N dataset: a collection assembled to train a machine learning model for the purposes of assisting catalyst design by predicting chemical reactivity of transition-metal surfaces. The adsorption systems contained in this dataset consist of {100}-terminated Pt-based bimetallic surfaces doped with a third element. JARVIS is a set of tools and collected datasets built to meet current materials design challenges.

JARVIS_TinNet 数据集是联合自动化集成模拟（JARVIS）数据库的一部分。该数据集汇集了 TinNet-N 数据集的配置，TinNet-N 数据集旨在训练机器学习模型，以辅助催化剂设计，通过预测过渡金属表面的化学活性来实现。本数据集包含的吸附系统由{100}-端基的 Pt 基双金属表面掺杂第三种元素组成。JARVIS 是一套旨在满足当前材料设计挑战的工具和收集到的数据集。